Information card for entry 7224348

Structure parameters

• Formula: C18 H19 F3 N3 O11 Tm
• Calculated formula: C18 H19 F3 N3 O11 Tm
• Title of publication: Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid
• Authors of publication: Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 13
• Pages of publication: 2303
• a: 6.7196 ± 0.0004 Å
• b: 13.0045 ± 0.0009 Å
• c: 13.3399 ± 0.0009 Å
• α: 94.604 ± 0.006°
• β: 93.382 ± 0.005°
• γ: 102.228 ± 0.005°
• Cell volume: 1132.12 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No